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Mostrati risultati da 901 a 920 di 1.943
Titolo Data di pubblicazione Autori Tipo File
Integrated computational strategies for UV/vis spectra of large molecules in solution 2007 BARONE, Vincenzo + 1.1 Articolo in rivista
An integrated computational tool to model the broadening of absorption bands of flexible dyes in solution: cationic chromophores as test cases 2014 BENASSI, ENRICOCAPPELLI, ChiaraBARONE, Vincenzo + 1.1 Articolo in rivista
Integrated experimental and computational spectroscopy study on p-stacking interaction: the anisole dimer 2010 BARONE, Vincenzo + 1.1 Articolo in rivista
An integrated experimental and quantum-chemical investigation on the vibrational spectra of chlorofluoromethane 2013 TASINATO, NicolaBARONE, VincenzoJulien BloinoCAPPELLI, Chiara + 1.1 Articolo in rivista
Integrated experimental and theoretical approach for the structural characterization of Hg2+aqueous solutions 2008 MANCINI, GIORDANOBARONE, Vincenzo + 1.1 Articolo in rivista
Integrated Multiscale Multilevel Approach to Open Shell Molecular Systems 2023 Giovannini, TommasoMarrazzini, GioiaScavino, MarcoKoch, HenrikCappelli, Chiara 1.1 Articolo in rivista
Integrated NMR and computational study of push-pull NLO probes: interplay of solvent and structural effects 2011 Marini, AlbertoMacchi, SaraMennucci, Benedetta + 1.1 Articolo in rivista
Integrated QM/MM approaches to the study of structure, dynamics and optical properties of molecules in complex environments 2015 DE MITRI, NICOLA 9.1 Tesi PhD
Integrated QM/polarizable MM/continuum approaches to model chiroptical properties of strongly interacting solute-solvent systems 2016 CAPPELLI, Chiara 1.1 Articolo in rivista
Integration of Quantum Chemistry, Statistical Mechanics, and Artificial Intelligence for Computational Spectroscopy: The UV–Vis Spectrum of TEMPO Radical in Different Solvents 2022 Falbo, EmanueleLazzari, FedericoMancini, GiordanoBarone, Vincenzo + 1.1 Articolo in rivista
Integration of theory, simulation, artificial intelligence and virtual reality: A four-pillar approach for reconciling accuracy and interpretability in computational spectroscopy 2021 Barone V.Puzzarini C.Mancini G. 1.1 Articolo in rivista
Interaction of anthralin with cysteine: a new entry into the chemistry of biologically active anthrones 1984 M. D'ISCHIA + 1.1 Articolo in rivista
INTERACTION OF CARBON-ATOMS WITH THE BASAL-PLANE OF GRAPHITE - A THEORETICAL-STUDY OF THE CHEMISORPTION ON MODEL FINITE CLUSTER COMPOUNDS 1987 BARONE, Vincenzo + 1.1 Articolo in rivista
Interaction of collagen with chlorosulphonated paraffin tanning agents: Fourier transform infrared spectroscopic analysis and molecular dynamics simulations 2013 BARONE, Vincenzo + 1.1 Articolo in rivista
Interactions and reactivity in crystalline intermediates of mechanochemical cyclorhodation reactions 2024 Gómez, SaraCappelli, Chiara + 1.1 Articolo in rivista
Interactions between alkanes and aromatic molecules: A rotational study of pyridine-methane 2014 Spada, Lorenzo + 1.1 Articolo in rivista
Interactions between Carboxylic Acids and Heteroaromatics: A Rotational Study of Formic Acid-Pyridine 2016 Spada, Lorenzo + 1.1 Articolo in rivista
Interactions between freons and aromatic molecules: The rotational spectrum of pyridine-difluoromethane 2014 Spada, Lorenzo + 1.1 Articolo in rivista
Interactions between freons: A rotational study of CH2F2-CH2Cl2 2014 Spada, Lorenzo + 1.1 Articolo in rivista
Interactions in Solvents and Solutions 2000 CAPPELLI, Chiara + 2.1 Contributo in volume (Capitolo o Saggio)
Mostrati risultati da 901 a 920 di 1.943
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